2-[[5-(2-heptoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(2-heptoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(2-heptoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(2-heptoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(2-heptoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(2-heptoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC=C1C2=NC(=NN2)SCC(=O)O

Isomeric SMILES

CCCCCCCOC1=CC=CC=C1C2=NC(=NN2)SCC(=O)O

InChI

InChI=1S/C17H23N3O3S/c1-2-3-4-5-8-11-23-14-10-7-6-9-13(14)16-18-17(20-19-16)24-12-15(21)22/h6-7,9-10H,2-5,8,11-12H2,1H3,(H,21,22)(H,18,19,20)